Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 9/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.34 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2785534 | 0.85 | OPRM1 (0.41) | ALDH1A1POLBSLC6A9OPRM1KCNH2 | |
| SCHEMBL3815921 | 0.84 | HSD17B10 (0.51) | ALDH1A1POLBHSD17B10SLC6A9OPRM1 | |
| SCHEMBL3908706 | 0.78 | NAAA (0.38) | ALDH1A1POLBHSD17B10SLC6A9OPRM1 | |
| Trifluoroacetic Acid SCHEMBL4561643 | 0.78 | HSD17B10 (0.43) | ALDH1A1HSD17B10SLC6A9OPRM1OPRL1 | |
| SCHEMBL15190271 | 0.76 | SLC6A9 (0.37) | ALDH1A1POLBHSD17B10SLC6A9OPRM1 | |
| Formic Acid SCHEMBL3897768 | 0.72 | PER2 (0.35) | ALDH1A1SLC6A9OPRM1KCNH2OPRL1 | |
| SCHEMBL4120887 | 0.71 | SLC6A9 (0.39) | ALDH1A1SLC6A9OPRM1KCNH2 | |
| SCHEMBL23293520 | 0.70 | SLC6A9 (0.43) | SLC6A9OPRM1KCNH2OPRD1 | |
| SCHEMBL318959 | 0.70 | HSD17B10 (0.73) | HSD17B10SLC6A9OPRM1KCNH2OPRL1 | |
| SCHEMBL30330148 | 0.68 | SLC6A9 (0.47) | SLC6A9OPRM1KCNH2OPRD1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101103020-B | Cgrp receptor antagonists | MERCK & CO INC | 2011-04-27 | — | — | CN | disclosed |
| EP-1856100-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-15 | — | — | EP | disclosed |
| CN-101103020-A | CGRP receptor antagonists | MERCK & CO INC (US) | 2008-01-09 | — | — | CN | disclosed |
| EP-1856100-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006078554-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-07-27 | — | — | WO | disclosed |